# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 108.99 7.03 11.54 19.78 114.53 -147.46 -91.27 127.51 99.90 0.08 0.01 99.86 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 T C C 86.74 4.63 10.24 16.58 115.85 -158.31 -98.30 141.12 88.15 3.75 8.09 81.46 1.57 6.35 2.45 4.37 0.00 2.47 1.33 2 D C C 111.35 3.04 10.72 15.30 105.84 -131.52 -89.70 55.58 82.24 5.13 12.63 44.04 20.98 18.04 2.58 9.64 0.01 3.37 1.34 3 K C C 128.13 4.06 11.94 17.71 114.63 119.16 -97.84 132.78 79.06 7.33 13.61 40.77 24.10 15.33 2.58 10.42 0.01 5.38 1.42 4 I C C 86.72 10.31 11.04 22.15 118.39 -152.47 -98.26 133.97 74.87 17.88 7.25 54.59 13.62 6.50 1.89 5.15 0.00 16.50 1.74 5 R C C 102.16 9.23 15.96 26.16 120.09 -159.94 -108.34 137.13 60.38 37.30 2.33 50.37 6.77 2.37 0.66 1.51 0.00 37.03 1.28 6 T E E 70.58 9.52 17.41 27.79 121.00 -147.37 -106.95 133.44 38.96 60.44 0.60 33.70 3.92 0.78 0.19 0.37 0.00 60.08 0.97 7 L E E 30.28 17.06 15.72 33.11 127.11 -173.21 -124.60 142.57 18.71 81.09 0.20 16.79 1.38 0.24 0.07 0.11 0.00 80.79 0.61 8 Q E E 92.40 7.64 22.81 31.14 121.61 -148.42 -109.02 135.53 10.60 89.31 0.09 9.31 0.84 0.14 0.03 0.05 0.00 89.32 0.32 9 G E E 9.09 18.70 16.74 35.40 142.53 153.05 -156.92 171.98 4.62 95.35 0.03 3.52 0.72 0.08 0.00 0.01 0.00 95.60 0.05 10 R E E 109.88 6.18 24.55 31.63 125.28 -109.16 -120.85 142.10 1.65 98.34 0.01 1.39 0.10 0.01 0.00 0.00 0.00 98.45 0.04 11 V E E 27.37 20.85 13.27 34.12 109.83 -116.26 -76.48 126.15 1.81 98.17 0.02 1.63 0.07 0.01 0.00 0.00 0.00 98.21 0.08 12 V E E 71.19 6.30 20.33 27.54 102.45 176.05 -99.79 -23.06 7.49 92.42 0.09 5.75 1.53 0.19 0.02 0.05 0.00 92.25 0.21 13 S E E 53.29 6.47 18.72 26.19 135.79 2.35 -148.93 150.83 25.80 73.93 0.26 17.26 7.65 1.00 0.06 0.18 0.00 73.45 0.41 14 D C C 71.13 12.04 12.10 24.42 115.95 -168.36 -123.76 114.69 63.91 35.49 0.60 49.82 10.25 2.18 0.11 0.53 0.00 36.40 0.71 15 K C S 142.80 3.01 15.12 19.02 101.83 169.58 -92.40 3.18 77.97 20.40 1.63 27.65 36.02 14.66 0.20 1.54 0.00 18.63 1.29 16 M C C 90.65 6.48 11.06 19.15 121.38 99.99 -101.17 154.05 76.83 20.59 2.58 34.16 28.44 15.28 0.45 2.36 0.02 14.60 4.69 17 E C T 154.70 1.56 14.96 16.66 97.71 -103.77 -66.87 -24.36 97.55 0.90 1.55 6.54 40.98 50.18 0.14 1.35 0.00 0.56 0.24 18 K C T 119.79 6.75 14.92 22.43 100.02 14.42 -99.95 3.41 97.55 1.40 1.04 4.16 42.29 51.31 0.06 0.92 0.00 1.07 0.18 19 S E E 23.26 11.73 16.39 29.68 136.38 53.17 -140.28 155.71 30.76 68.94 0.30 21.84 8.23 1.51 0.05 0.26 0.00 67.16 0.96 20 I E E 15.02 18.13 17.07 36.24 125.44 -148.63 -120.80 139.29 6.59 93.40 0.01 5.90 0.24 0.01 0.00 0.00 0.00 93.76 0.08 21 V E E 31.12 10.92 23.80 36.15 118.39 -151.47 -109.06 128.23 0.55 99.45 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.00 22 V E E 7.01 22.20 17.91 40.67 120.75 -166.17 -113.41 130.30 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 23 A E E 23.08 10.45 23.78 35.55 118.57 -157.83 -106.50 130.92 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 24 I E E 14.63 19.41 16.59 36.55 123.61 -169.50 -119.84 134.45 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 25 E E E 80.89 8.47 20.50 29.68 117.62 -147.08 -100.95 130.25 1.36 98.64 0.00 1.18 0.05 0.00 0.00 0.00 0.00 98.76 0.01 26 R E E 64.35 12.99 15.22 29.04 130.27 168.23 -133.26 149.79 2.19 97.81 0.00 1.96 0.07 0.00 0.00 0.00 0.00 97.95 0.02 27 F E E 104.61 7.35 16.83 25.39 116.77 -128.22 -97.77 130.86 1.78 98.21 0.00 1.58 0.06 0.00 0.00 0.00 0.00 98.33 0.02 28 V E E 41.03 11.18 13.87 26.72 127.09 -175.90 -128.21 145.82 1.23 98.77 0.00 1.04 0.06 0.00 0.00 0.00 0.00 98.88 0.02 29 K E E 120.66 4.17 14.80 20.44 114.82 -123.05 -90.05 129.44 2.19 97.80 0.01 1.99 0.12 0.01 0.00 0.00 0.00 97.61 0.27 30 H C C 45.78 11.60 7.90 20.81 110.04 -139.40 -89.11 118.72 54.60 45.35 0.05 53.42 0.65 0.09 0.01 0.02 0.00 45.17 0.63 31 P C T 108.84 1.49 11.90 14.03 92.85 -146.90 -64.75 -27.72 97.80 0.24 1.96 0.46 2.82 94.59 0.07 1.85 0.00 0.16 0.05 32 I C T 131.98 1.35 11.13 12.94 97.99 47.56 -76.82 -38.97 98.16 0.16 1.68 0.22 2.28 95.81 0.04 1.51 0.00 0.09 0.05 33 Y C T 136.52 2.86 10.33 14.50 101.38 24.41 -104.98 -10.65 98.56 0.14 1.30 0.40 2.17 96.12 0.05 1.15 0.00 0.08 0.03 34 G C T 53.29 2.46 11.12 15.08 96.04 -125.97 74.80 10.38 98.88 0.83 0.29 46.40 5.44 47.01 0.06 0.19 0.00 0.79 0.10 35 K C C 110.05 3.09 12.11 16.94 125.36 122.77 -111.19 152.99 57.37 42.61 0.02 53.49 2.21 0.12 0.00 0.02 0.00 43.76 0.40 36 F E E 118.64 7.43 11.28 20.38 117.71 -123.20 -93.93 135.53 0.89 99.11 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.12 0.05 37 I E E 60.91 8.78 13.17 23.99 124.13 -168.83 -121.30 139.29 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 38 K E E 122.61 6.68 14.16 22.82 119.62 -147.25 -104.48 134.20 0.29 99.71 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 39 R E E 90.40 9.23 14.12 24.90 129.72 -177.67 -131.81 147.50 0.60 99.40 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.45 0.00 40 T E E 74.38 8.12 15.67 25.27 121.72 -145.05 -112.56 138.07 1.48 98.52 0.00 1.36 0.03 0.00 0.00 0.00 0.00 98.60 0.01 41 T E E 33.66 13.70 14.77 29.46 128.37 -175.52 -126.57 146.38 1.80 98.20 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.20 0.03 42 K E E 109.03 7.58 20.25 28.89 118.91 -139.62 -105.39 131.07 3.59 96.41 0.00 3.38 0.17 0.01 0.00 0.00 0.00 96.39 0.06 43 L E E 15.13 21.22 15.83 37.13 123.70 -168.13 -115.95 136.03 5.69 94.30 0.00 5.57 0.15 0.00 0.00 0.00 0.00 94.14 0.13 44 H E E 72.19 9.58 25.03 35.09 118.34 -148.61 -100.99 135.15 8.16 91.84 0.00 8.06 0.22 0.01 0.00 0.00 0.00 91.39 0.32 45 V E E 7.14 24.31 16.89 41.45 128.39 -172.79 -126.83 141.25 19.70 80.28 0.02 19.30 0.49 0.04 0.01 0.01 0.00 79.38 0.77 46 H E E 69.75 9.04 24.39 33.97 117.39 -153.45 -107.31 126.81 26.36 73.56 0.07 24.37 1.51 0.16 0.02 0.05 0.00 68.66 5.21 47 D C C 19.60 19.50 13.09 32.32 111.80 -170.01 -115.61 102.70 84.10 15.69 0.22 81.34 2.31 0.48 0.05 0.15 0.00 14.06 1.61 48 E C T 126.14 4.01 17.07 22.53 94.78 -173.54 -69.13 -26.96 96.36 1.29 2.35 19.43 20.59 55.75 0.16 2.80 0.00 0.92 0.35 49 N C T 111.85 2.01 17.83 19.32 96.91 38.26 -94.92 4.06 96.88 0.63 2.49 4.55 32.35 59.74 0.12 2.65 0.00 0.37 0.22 50 N C S 80.46 12.13 13.43 25.88 94.62 -118.62 63.75 31.93 95.98 2.43 1.59 28.38 59.85 7.53 0.15 1.74 0.00 1.39 0.96 51 E C C 112.64 4.60 22.41 27.30 106.66 126.45 -95.38 33.94 93.85 5.74 0.41 87.45 4.70 1.47 0.12 0.31 0.00 2.60 3.36 52 C C C 9.91 24.07 11.15 34.49 125.92 133.95 -117.83 148.06 93.61 6.23 0.17 91.58 2.29 0.41 0.05 0.11 0.00 3.23 2.33 53 G C C 30.69 4.83 25.40 30.34 136.95 -171.82 -136.50 170.50 94.33 5.58 0.09 92.14 2.51 0.37 0.03 0.05 0.00 2.31 2.59 54 I C T 97.10 10.37 17.01 27.94 110.22 -66.37 -60.43 133.61 99.42 0.46 0.13 0.21 2.48 96.94 0.01 0.07 0.00 0.20 0.09 55 G C T 38.65 5.28 20.39 26.73 96.89 25.53 89.40 -6.85 99.86 0.09 0.04 0.39 2.36 97.15 0.00 0.03 0.00 0.06 0.01 56 D C C 28.96 14.98 16.69 32.77 117.96 133.27 -71.10 146.17 96.27 3.72 0.00 95.10 1.40 0.02 0.00 0.00 0.00 3.39 0.08 57 V E E 53.09 9.93 24.33 35.00 117.39 -133.08 -100.72 131.31 0.62 99.38 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.28 0.08 58 V E E 4.38 25.36 16.18 42.14 129.53 -174.31 -126.79 149.11 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 59 E E E 60.78 8.69 26.63 36.34 118.47 -134.10 -101.58 133.81 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 60 I E E 9.83 24.67 15.81 40.72 121.03 -159.64 -112.15 132.06 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 R E E 92.41 7.61 24.25 32.33 132.48 -176.58 -132.99 150.26 0.47 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 62 E E E 94.11 11.17 18.31 29.57 114.53 -107.94 -74.15 137.83 3.11 96.89 0.01 2.83 0.14 0.01 0.00 0.00 0.00 96.95 0.07 63 C E E 27.80 15.67 12.15 28.05 129.01 -166.90 -119.98 156.56 48.91 51.01 0.08 45.98 1.73 0.14 0.02 0.05 0.00 51.44 0.65 64 R C C 162.15 2.06 17.77 19.88 114.92 -100.63 -89.33 137.60 74.06 25.55 0.39 52.53 19.21 1.79 0.08 0.36 0.00 24.82 1.20 65 P C C 68.48 10.61 9.71 21.02 112.45 -106.97 -67.04 141.27 83.10 15.77 1.13 63.36 15.52 4.02 0.27 0.92 0.00 13.94 1.98 66 L C S 119.16 2.86 12.08 16.26 98.24 -161.42 -83.03 -28.10 84.28 14.39 1.33 28.14 47.53 9.38 0.27 1.13 0.01 9.65 3.90 67 S C S 56.18 2.84 13.09 16.86 135.53 7.31 -146.37 167.18 84.75 13.76 1.49 20.08 52.98 12.11 0.27 1.24 0.01 8.71 4.61 68 K C S 172.31 1.23 11.62 13.70 92.65 -100.83 -65.65 -22.50 98.44 0.54 1.02 2.40 59.41 36.92 0.08 0.73 0.00 0.30 0.16 69 T C S 98.38 2.31 13.90 16.72 100.42 47.22 -96.75 -11.14 97.08 2.22 0.70 3.62 58.94 34.90 0.05 0.56 0.00 1.61 0.32 70 K C C 72.16 10.91 13.68 25.58 119.88 51.27 -118.48 125.91 58.87 40.75 0.38 46.59 10.02 1.92 0.09 0.36 0.00 37.20 3.81 71 S E E 21.69 12.65 17.75 31.91 130.00 162.85 -127.78 154.00 39.09 60.86 0.05 34.28 3.22 0.24 0.01 0.04 0.00 61.44 0.76 72 W E E 26.13 20.01 17.69 37.89 127.51 -147.51 -123.31 145.14 9.35 90.64 0.01 8.29 0.48 0.03 0.00 0.00 0.00 91.07 0.13 73 T E E 34.77 10.54 24.77 36.31 122.13 -153.16 -117.57 133.89 0.72 99.28 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.29 0.02 74 L E E 18.50 21.44 15.57 37.50 109.52 -120.58 -76.50 123.81 0.40 99.60 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.02 75 V E E 61.55 7.93 21.17 30.10 101.25 175.40 -97.70 -32.72 1.18 98.81 0.01 0.89 0.16 0.02 0.00 0.01 0.00 98.93 0.01 76 R E E 112.72 3.94 23.81 28.13 137.01 -2.67 -150.92 148.86 0.95 99.04 0.01 0.74 0.09 0.01 0.00 0.01 0.00 99.14 0.01 77 V E E 49.82 17.75 12.75 29.96 110.65 -126.58 -87.24 121.16 1.34 98.64 0.02 1.30 0.03 0.01 0.00 0.00 0.00 98.61 0.03 78 V E E 68.03 6.89 17.33 25.64 101.38 176.80 -93.35 -33.73 9.17 90.68 0.15 7.12 1.72 0.21 0.03 0.08 0.00 90.67 0.17 79 E E E 101.10 4.38 18.89 24.29 135.77 -0.72 -149.13 149.08 14.46 85.09 0.45 11.40 2.74 0.68 0.09 0.31 0.00 84.41 0.38 80 K E E 111.65 10.99 12.10 23.83 120.97 -153.39 -114.17 133.08 43.06 55.35 1.58 33.05 7.37 2.39 0.24 1.28 0.00 55.04 0.64 81 A C C 48.53 8.41 11.35 21.32 118.91 -146.68 -98.31 143.68 66.28 31.85 1.87 50.52 10.71 3.63 0.27 1.73 0.00 32.15 0.99 82 V C C 110.97 3.05 11.47 16.34 114.71 -132.26 -94.43 128.95 72.55 25.99 1.46 69.08 1.18 1.88 0.24 1.19 0.00 24.15 2.27 83 L C C 99.72 7.49 10.92 19.66 110.21 -138.14 -84.73 119.33 99.84 0.16 0.00 99.84 0.04 0.01 0.00 0.00 0.00 0.10 0.01